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CAS Number: 38487-86-4
2-amino-4-chlorobenzonitrile

Structure

 2-amino-4-chlorobenzonitrile
Name: 2-amino-4-chlorobenzonitrile
Synonyms:
General Information
Product Number: 38487864

CAS Registry Number 38487-86-4
Name:
Benzonitrile, 2-?amino-?4-?chloro-
Anthranilonitrile, 4-chloro- (6CI)
2-Amino-4-chlorobenzonitrile
4-Chloro-2-aminobenzonitrile
4-Chloroanthranilonitrile
5-Chloro-2-cyanoaniline

 

Chemical Formula: C7H5ClN2
Exact Mass: 152.01
Molecular Weight: 152.58
m/z: 152.01 (100.0%), 154.01 (32.0%), 153.02 (7.6%), 155.01 (2.7%)

 

InChI:InChI=1S/C7H5ClN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,10H2

InChI Key:UZHALXIAWJOLLR-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=C(C=C1Cl)N)C#N

 

Thermal Properties Value Condition Note
Melting Point 161-162 °C   (4)CAS
Melting Point 161 °C   (5)SRC
Melting Point 160-161 °C   (6)CAS
Melting Point 158-159 °C Solv: ethanol (64-17-5) (3)CAS
Melting Point 156 °C   (7)CAS

Specification

98%
References
  1. (3) Dou, Guolan; Journal of Combinatorial Chemistry 2009, V11(6), P1073-1077 CAPLUS
  2. (4) McKee, R. L.; Journal of the American Chemical Society 1947, V69, P940-2 CAPLUS
  3. (5) "PhysProp" data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
  4. (6) Grundmann, Christopher, Jr.; Journal of Organic Chemistry 1959, V24, P272-4 CAPLUS
  5. (7) Kreimeyer, Annett; Journal of Medicinal Chemistry 1999, V42(21), P4394-4404 CAPLUS
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